GanDTI: A multi-task neural network for drug-target interaction prediction

[Display omitted] •We present a simple and multi-purpose model, GanDTI, that could both predict the binding affinity and classify the interaction.•The model employs a residual graph neural network to process the compound fingerprint data and forms a vector that could project product-based attention...

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Veröffentlicht in:	Computational biology and chemistry 2021-06, Vol.92, p.107476-107476, Article 107476
Hauptverfasser:	Wang, Shuyu, Shan, Peng, Zhao, Yuliang, Zuo, Lei
Format:	Artikel
Sprache:	eng
Schlagworte:	Attention Biology Computer Science Computer Science, Interdisciplinary Applications Drug-target interaction Graph neural network Life Sciences & Biomedicine Life Sciences & Biomedicine - Other Topics Protein Science & Technology Technology
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